REMARK  Name = BDB048723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.735   0.332  -0.754  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.712   1.010  -0.074  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.391   0.546  -0.110  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.069  -0.605  -0.825  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.084  -1.291  -1.495  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.403  -0.833  -1.461  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        7.224   0.915   1.586  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        6.372   0.788   0.347  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        4.942   0.351   0.531  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        4.160   0.845  -0.677  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        4.892   0.626  -1.895  0.00  0.00    -0.290 N 
ATOM     12  H   LIG    1        4.427   0.712  -2.790  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        6.227   0.898  -1.966  0.00  0.00    +0.324 C 
ATOM     14  O   LIG    1        6.748   1.008  -3.069  0.00  0.00    -0.251 OA
ATOM     15  N   LIG    1        6.919   1.050  -0.797  0.00  0.00    -0.172 NA
BRANCH   9  16
ATOM     16  C   LIG    1        4.816  -1.122   0.799  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        4.201  -1.615   1.732  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.468  -1.911  -0.071  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        5.287  -2.827   0.229  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1       -1.168  -1.172  -0.942  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.292  -0.510  -0.356  0.00  0.00    +0.231 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.480  -0.974   1.088  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.583  -0.222   1.824  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.908  -0.448   1.279  0.00  0.00    -0.332 N 
ATOM     25  C   LIG    1       -5.543   0.379   0.388  0.00  0.00    +0.141 A 
ATOM     26  C   LIG    1       -6.795  -0.171   0.121  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.625   0.513  -0.781  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -7.135   1.690  -1.347  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -5.864   2.127  -0.997  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.899  -1.361   0.890  0.00  0.00    +0.029 A 
ATOM     31  N   LIG    1       -5.024   1.510  -0.135  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -5.723  -1.507   1.596  0.00  0.00    +0.088 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8